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CHEMBRIDGE-ZINC01052185

 MMsINC code: MMs00653351
Type: Neutral
Formula: C11H16N2O3
SMILES:   O1CCCC1C(NC(=O)c1noc(c1)C)C
InChI:   InChI=1/C11H16N2O3/c1-7-6-9(13-16-7)11(14)12-8(2)10-4-3-5-15-10/h6,8,10H,3-5H2,1-2H3,(H,12,14)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=48.6228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.26 g/mol  logS: -1.6659  SlogP: 1.28032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778546  Sterimol/B1: 3.16977  Sterimol/B2: 3.6076  Sterimol/B3: 3.63398
  Sterimol/B4: 5.27577  Sterimol/L: 13.6405 
 
 Surface and Volume Properties
  Accessible surface: 448.241  Positive charged surface: 292.418  Negative charged surface: 155.823  Volume: 217.25
  Hydrophobic surface: 362.078  Hydrophilic surface: 86.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.